5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole

C14H18ClN5 — CID 63390156

IUPAC5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole
SMILESClCCCC1CCCN1c1nnnn1-c1ccccc1
InChIInChI=1S/C14H18ClN5/c15-10-4-8-12-9-5-11-19(12)14-16-17-18-20(14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2
InChIKeyBGZSBLZMTLVHEM-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.65
Rot. Bonds5

About 5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole

5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole (PubChem CID 63390156) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole
PubChem CID63390156
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole
SMILESClCCCC1CCCN1c1nnnn1-c1ccccc1
InChIInChI=1S/C14H18ClN5/c15-10-4-8-12-9-5-11-19(12)14-16-17-18-20(14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2
InChIKeyBGZSBLZMTLVHEM-UHFFFAOYSA-N
XLogP2.65
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole?
The IUPAC name of 5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole (CID 63390156) is 5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole.
What is the SMILES notation for 5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole?
The canonical SMILES for 5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole is ClCCCC1CCCN1c1nnnn1-c1ccccc1.
What is the InChIKey of 5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole?
The InChIKey is BGZSBLZMTLVHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c15-10-4-8-12-9-5-11-19(12)14-16-17-18-20(14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2.
What are the key properties of 5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole?
5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole has a molecular weight of 291.79 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole is sourced from PubChem (CID 63390156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).